SES1_001594
TL;DR: SES1_001594 (CAS 6113-11-7) is a chemical compound with molecular formula C39H48N2O6 and molecular weight 640.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]-1-(oxolan-2-ylmethyl)-3-phenylurea
Also Known As: SES1_001594, N-{[4-(Furan-2-carbonyl)-1,7-dihydroxy-9a,11a-dimethyl-2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-3b,5a-ethenocyclopenta[a]phenanthren-1-yl]methyl}-N-[(oxolan-2-yl)methyl]-N'-phenylurea
| Molecular Formula | C39H48N2O6 |
|---|---|
| Molecular Weight | 640.35 g/mol |
| LogP | 6.7665 |
| Topological Polar Surface Area | 112.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 640.35126 |
| Heavy Atoms | 47 |
| Complexity | 1597.9293 |
Chemical Identifiers
| CAS Number | 6113-11-7 |
|---|---|
| SMILES | CC12CCC(CC13C=CC4(C2CCC5(C4CCC5(CN(CC6CCCO6)C(=O)NC7=CC=CC=C7)O)C)C(=C3)C(=O)C8=CC=CO8)O |
Product Overview
SES1_001594 (CAS 6113-11-7), with molecular formula C39H48N2O6 and molecular weight 640.35 g/mol. IUPAC: 1-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]-1-(oxolan-2-ylmethyl)-3-phenylurea.
Chemical Property Profile of SES1_001594
Property Insights of SES1_001594
The XLogP value of 6.7665 indicates that SES1_001594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.24 Ų falls within the moderate polarity range, balancing permeability and solubility for SES1_001594. Following Lipinski's Rule of Five, SES1_001594 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SES1_001594?
The CAS number of SES1_001594 is 6113-11-7.
What is the molecular formula of SES1_001594?
The molecular formula of SES1_001594 is C39H48N2O6.
What is the molecular weight of SES1_001594?
The molecular weight of SES1_001594 is 640.35 g/mol.
Where can I buy SES1_001594?
You can request a quote for SES1_001594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SES1_001594?
Yes, KEHONG BIO provides custom synthesis services for SES1_001594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.